BDBM304959 2-{34-Methyl-3,3-dioxo-10-oxa-3λ6-thia-2,17,18,19-tetraazaheptacyclo[24.5.2.12,11.120,24.04,9.017,21.029,32]pentatriaconta-4(9),5,7,18,20(34),21,23,26(33),27,29(32)-decaen-25-yl}acetic acid::BDBM304960::US10144731, Example 263

SMILES Cc1c2ccc3n(CCCCCC4CN(C5CCc6ccc(cc56)C2CC(O)=O)S(=O)(=O)c2ccccc2O4)nnc13

InChI Key InChIKey=VMBGZHLUBXWENN-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 304959   

TargetKelch-like ECH-associated protein 1 [321-609](Human)
Glaxosmithkline

US Patent
LigandChemical structure of BindingDB Monomer ID 304959BDBM304959(2-{34-Methyl-3,3-dioxo-10-oxa-3λ6-thia-2,17,1...)
Affinity DataIC50: 5.50E+3nMAssay Description:100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2019
Entry Details
US Patent

TargetKelch-like ECH-associated protein 1 [321-609](Human)
Glaxosmithkline

US Patent
LigandChemical structure of BindingDB Monomer ID 304959BDBM304959(2-{34-Methyl-3,3-dioxo-10-oxa-3λ6-thia-2,17,1...)
Affinity DataIC50: 5.50E+3nMAssay Description:100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2019
Entry Details
US Patent

TargetNuclear factor erythroid 2-related factor 2(Human)
Glaxosmithkline

US Patent
LigandChemical structure of BindingDB Monomer ID 304959BDBM304959(2-{34-Methyl-3,3-dioxo-10-oxa-3λ6-thia-2,17,1...)
Affinity DataEC50:  5.50E+4nMAssay Description:NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2019
Entry Details
US Patent

TargetNuclear factor erythroid 2-related factor 2(Human)
Glaxosmithkline

US Patent
LigandChemical structure of BindingDB Monomer ID 304959BDBM304959(2-{34-Methyl-3,3-dioxo-10-oxa-3λ6-thia-2,17,1...)
Affinity DataEC50:  5.50E+4nMAssay Description:NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2019
Entry Details
US Patent